III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3400277 |
correlated core | -90.3452154 |
difference | -0.0051876 |
Energy (hartrees) | |
---|---|
frozen core | -90.3400277 |
correlated core | -90.3452155 |
difference | -0.0051878 |
Energy (hartrees) | |
---|---|
frozen core | -90.3382420 |
correlated core | -90.3439440 |
difference | -0.0057020 |